4-chloro-3H-isoindol-1-amine

C8H7ClN2 — CID 174366433

IUPAC4-chloro-3H-isoindol-1-amine
SMILESNC1=NCc2c(Cl)cccc21
InChIInChI=1S/C8H7ClN2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4H2,(H2,10,11)
InChIKeySLEHHIHTXBAPTF-UHFFFAOYSA-N
MW166.61 g/mol
LogP1.56
Rot. Bonds

About 4-chloro-3H-isoindol-1-amine

4-chloro-3H-isoindol-1-amine (PubChem CID 174366433) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 4-chloro-3H-isoindol-1-amine.

Molecular Properties

Compound Name4-chloro-3H-isoindol-1-amine
PubChem CID174366433
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name4-chloro-3H-isoindol-1-amine
SMILESNC1=NCc2c(Cl)cccc21
InChIInChI=1S/C8H7ClN2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4H2,(H2,10,11)
InChIKeySLEHHIHTXBAPTF-UHFFFAOYSA-N
XLogP1.56
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3H-isoindol-1-amine?
The IUPAC name of 4-chloro-3H-isoindol-1-amine (CID 174366433) is 4-chloro-3H-isoindol-1-amine.
What is the SMILES notation for 4-chloro-3H-isoindol-1-amine?
The canonical SMILES for 4-chloro-3H-isoindol-1-amine is NC1=NCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-3H-isoindol-1-amine?
The InChIKey is SLEHHIHTXBAPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4H2,(H2,10,11).
What are the key properties of 4-chloro-3H-isoindol-1-amine?
4-chloro-3H-isoindol-1-amine has a molecular weight of 166.61 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3H-isoindol-1-amine is sourced from PubChem (CID 174366433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).